Transition to pyproject.toml

[martinvonk]

Short Description

See #442

Checklist before PR can be merged:

• closes issue [Development] Add pyproject.toml #442
• is documented
• PEP8 compliant code

[martinvonk]

Code still has to be moved to .src folder.

[martinvonk]

If there is a new Pastas version released and all pull requests are merged in the dev branch we can update this branch. Then we can move the pastas scripts to the src/ folder and finish this PR.

[dbrakenhoff]

Is it really necessary to move the code to the src/ folder? This post suggests both (our current structure and the src-structure) are valid: https://godatadriven.com/blog/a-practical-guide-to-setuptools-and-pyproject-toml/?

[dbrakenhoff]

See comments.

[raoulcollenteur]

Hi @martinvonk, now would be a good time to work on this PR ;-) I agree with @dbrakenhoff that if we can stick to the current folder structure and not use a src folder I would prefer that.

[martinvonk]

Hi @martinvonk, now would be a good time to work on this PR ;-) I agree with @dbrakenhoff that if we can stick to the current folder structure and not use a src folder I would prefer that.

Will continue working on this after #441 is merged.

On the /src layout this is worth a read: https://packaging.python.org/en/latest/discussions/src-layout-vs-flat-layout/

[martinvonk]

At this point the method works. Now we want to replace the requirements.txt files with the optional dependencies. @dbrakenhoff is gonna give it a try because I don't understand the rtd setup process (yet) :).

[dbrakenhoff]

I was hoping to merge dev into this PR without all the changes showing up in this PR, but for some reason I didn't do that correctly...? Anyway, hopefully black linting passes now.

If I messed up, I'll have to reset to an older commit and redo the merge. But let's see how it goes first.

Last thing is that we should maybe document somewhere what the procedure now looks like to create a new Release.

• where to update the pastas version
• ... (any other steps?)

[martinvonk]

Can we change these lines as well? Such that we can remove the requirements.txt files.

pastas/.github/workflows/ci.yml

Line 32 in 17c6fd4

if [ -f requirements.ci.txt ]; then pip install -r requirements.ci.txt; fi

pastas/doc/userguide/getting_started.rst

Line 51 in efacd4e

.. include:: ../../requirements.ci.txt

Regarding @dbrakenhoff comment:

• where to update the pastas version

With this change the version is now updated only in the pyproject.toml file and no longer in version.py. The version update takes place only in one file so that's good.

[martinvonk]

I think this is change going to work :)

So to list the changes:

• setup.py is removed in favor of pyproject.toml
• update the pastas version is now only done in the pyproject.toml file
• the version.py file now uses importlib to determine the used pastas version
• setup.cfg is added but empty (which makes maintenance easy). However we need an empty setup.cfg file, otherwise we can't do pip install -e .
• remove requirements.txt files and get dependencies for readthedocs and ci from pyproject.toml
• add black formatting checks

[raoulcollenteur]

Couple of small changes as per the review comments. Particularly the Scipy version change. Then it should be good to go!